3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide

C18H19N3O6S — CID 9224817

IUPAC3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H19N3O6S/c1-2-19-17(22)10-20-18(23)12-4-3-5-14(8-12)28(24,25)21-13-6-7-15-16(9-13)27-11-26-15/h3-9,21H,2,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyPLZZGPFAJYQROP-UHFFFAOYSA-N
MW405.43 g/mol
LogP1.08
Rot. Bonds7

About 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide

3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide (PubChem CID 9224817) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
PubChem CID9224817
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H19N3O6S/c1-2-19-17(22)10-20-18(23)12-4-3-5-14(8-12)28(24,25)21-13-6-7-15-16(9-13)27-11-26-15/h3-9,21H,2,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyPLZZGPFAJYQROP-UHFFFAOYSA-N
XLogP1.08
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163346
N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 4851184
3-(benzenesulfonamido)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 18137070
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide
CID 32904387
N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18145771
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide
CID 9271915
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575917
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
4-(1,3-benzodioxol-5-ylsulfamoyl)-N-butylbenzamide
CID 109058656
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 110606353

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide (CID 9224817) is 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide is CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The InChIKey is PLZZGPFAJYQROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-2-19-17(22)10-20-18(23)12-4-3-5-14(8-12)28(24,25)21-13-6-7-15-16(9-13)27-11-26-15/h3-9,21H,2,10-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide?
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide has a molecular weight of 405.43 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9224817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).